2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine

C10H13F2N3 — CID 68627667

IUPAC2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESNc1ccnc(CN2CCC(F)(F)C2)c1
InChIInChI=1S/C10H13F2N3/c11-10(12)2-4-15(7-10)6-9-5-8(13)1-3-14-9/h1,3,5H,2,4,6-7H2,(H2,13,14)
InChIKeyFHPSOOVLKMMCHQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.50
Rot. Bonds2

About 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine

2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine (PubChem CID 68627667) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine
PubChem CID68627667
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESNc1ccnc(CN2CCC(F)(F)C2)c1
InChIInChI=1S/C10H13F2N3/c11-10(12)2-4-15(7-10)6-9-5-8(13)1-3-14-9/h1,3,5H,2,4,6-7H2,(H2,13,14)
InChIKeyFHPSOOVLKMMCHQ-UHFFFAOYSA-N
XLogP1.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine (CID 68627667) is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine is Nc1ccnc(CN2CCC(F)(F)C2)c1.
What is the InChIKey of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine?
The InChIKey is FHPSOOVLKMMCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c11-10(12)2-4-15(7-10)6-9-5-8(13)1-3-14-9/h1,3,5H,2,4,6-7H2,(H2,13,14).
What are the key properties of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine?
2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine has a molecular weight of 213.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 68627667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).